TeraGrid: A National Cyberinfrastructure Facility

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1 TeraGrid: A National Cyberinfrastructure Facility Charlie Catlett, TeraGrid Director University of Chicago and Argonne National Laboratory cec@uchicago.edu January 2006

2 TeraGrid Objectives DEEP Science: Enabling Terascale Science Make Science More Productive through an integrated set of very-high capability resources. WIDE Impact: Empowering communities Bring TeraGrid capabilities to the broad science community. OPEN Infrastructure, Open Partnership Provide a coordinated, general purpose, reliable set of services and resources.

3 DTF ETF NSF TeraGrid Initiative TEP Core Early RP Ops GIG and RP 1/01 1/02 1/03 1/04 1/05 DTF: Design/Deploy UC/ANL, Caltech, NCSA, SDSC Intel 64bit - Homogeneous ETF: Add Heterogeneity +PSC Add IBM SMP, HP TEP: Expand + TACC, PU, IU, ORNL + IA32 FY05-09: Operations & Science Outreach FY05-6 Add XT3, SGI SMP, BG/L 8 RP Sites Grid Infrastructure Group 1/06 1/07 1/08 1/09 1/10 Resource Providers Networking, Operations & Security Software Integration Community Engagement: Science Gateways User Support Coordination Integration Team (Grid Infrastructure Group)

4 Computational Resources 100+ TF 8 distinct architectures Online Storage Mass Storage Net Gb/s, Hub Data Collections # collections Approx total size Access methods Instruments Visualization Resources RI: Remote Interact RB: Remote Batch RC: RI/Collab ANL/UC Itanium 2 (0.5 TF) IA-32 (0.5 TF) 3 PB Online Disk 20 TB 30 CHI RI, RC, RB IA-32, 96 GeForce 6600GT IU >100 data collections TeraGrid Resources Itanium2 (0.2 TF) IA-32 (2.0 TF) 32 TB 1.2 PB 10 CHI 5 Col. >3.7 TB URL/DB/ GridFTP Proteomics X-ray Cryst. NCSA Itanium2 (10.7 TF) SGI SMP (7.0 TF) Dell Xeon (17.2TF) IBM p690 (2TF) Condor Flock (1.1TF) 1140 TB 5 PB 30 CHI > 30 Col. URL/SRB/DB/ GridFTP RB SGI Prism, 32 graphics pipes; IA-32 ORNL IA-32 (0.3 TF) 1 TB 10 ATL SNS and HFIR Facilities PSC XT3 (10 TF) TCS (6 TF) Marvel (0.3 TF) 300 TB 2.4 PB 30 CHI RI, RB IA-32 + Quadro4 980 XGL Purdue Hetero (1.7 TF) IA-32 (11 TF) Opportunistic 26 TB 1.3 PB 10 CHI 4 Col. 7 TB SRB/Portal/ OPeNDAP RB IA-32, 48 Nodes SDSC Itanium2 (4.4 TF) Power4+ (15.6 TF) Blue Gene (5.7 TF) 1400 TB 6 PB 40 LA >70 Col. >1 PB GFS/SRB/ DB/GridFTP RB TACC IA-32 (6.3 TF) 50 TB 2 PB 10 CHI 4 Col TB SRB/Web Services/ URL RI, RC, RB UltraSPARC IV, 512GB SMP, 16 gfx cards

5 TeraGrid Architecture CTSS Computational Environment Service Local Value-Added User Environment Heterogeneous Resources at Autonomous Resource Provider Sites A single point of contact for user assistance. A common allocation process that includes a currency usable on all systems, while preserving the need to provide specific machine access to users with specific needs. A common access service and environment on all platforms, allowing users to readily move from machine to machine as needed. Learn Once; Run Anywhere. Services to assist users in harnessing the right TeraGrid platforms for each part of their work, ranging from tightly-coupled applications (MPICH-G2) to workflow (Condor-G, GridShell), file staging (GridFTP/RFT) and remote file I/O (0.5 PB GPFS WAN filesystem), supported by common authentication (GSI), and in 2006 Web services via GT4. New capabilities driven by tight feedback loop with users via surveys and hands-on projects. Science Gateways build on this architecture (common definitions, interfaces) to reach communities.

6 TeraGrid Use 1600 users 600 users

7 On Demand: Predicting Severe Weather Droegemeier (OU) and LEAD Large Data; Virtualized Resources: Earthquake Simulation Olsen (SDSU), Okaya (USC), Southern California Earthquake Center

8 Virtualized Resources, Ensembles: FOAM Climate Model Liu (UWisc) Coupled Simulation: Full Body Arterial Tree Simulation Karniadakis (Brown)

9 Delivering User Priorities in 2005 Overall Score (depth of need) Partners in Need (breadth of need) Remote File Read/Write High-Performance File Transfer Coupled Applications, Co-scheduling Grid Portal Toolkits Grid Workflow Tools Batch Metascheduling Global File System Client-Side Computing Tools Batch Scheduled Parameter Sweep Tools Advanced Reservations Results of in-depth discussions with 16 TeraGrid user teams during first annual user survey (August 2004). Capability Type Data Grid Computing Science Gateways

10 TeraGrid Optical Network NCAR NCSA UC/ANL PSC Starlight LA DEN CHI ATL Abilene SDSC TACC PU IU ORNL

11 GEO (ESG) Science Gateways Atmos (LEAD) BIO (OLSG) SBE (Psych) Homeland Sec (SPRUCE) Science Gateways NCAR NCSA UC/ANL PSC Starlight LA DEN CHI ATL SDSC TACC PU IU ORNL Abilene Astro (NVO) HEP (CMS) GEO (GEON) BIO (BIRN) ENV (Flood) Nano/ENG (Nanohub) Neutron Science (SNS)

12 Science Gateways A new initiative for the TeraGrid Increasing investment by communities in their own cyberinfrastructure, but heterogeneous: Resources Users from expert to K-12 Software stacks, policies Science Gateways Provide TeraGrid Inside capabilities Leverage community investment Three common forms: Web-based Portals Application programs running on users' machines but accessing services in TeraGrid Coordinated access points enabling users to move seamlessly between TeraGrid and other grids. Charlie Source: Catlett Dennis (cec@uchicago.edu) Gannon (gannon@cs.indiana.edu) OGCE Science Portal OGCE Portlets with Container Apache Jetspeed Internal Services Technical Approach Build standard portals to meet the domain requirements of the biology communities Develop federated databases to be replicated and shared across TeraGrid Service API Biomedical and Biology, Building Biomedical Communities Grid Service Stubs Local Portal Services Remote Content Services Grid Resources Workflow Composer Grid Protocols HTTP Grid Service s Remote Content Servers Java CoG Kit Open Source Tools

13 Science Gateway Examples As well as additional gateway projects that have joined us or are planning to join, including University of Buffalo, BIRN,NEES, GEON, Several NCAR projects, Cornell (large data collections), LSU (coastal modeling), IU Hydra Portal